Molecular Details
DICL_CP_0307137
- 4-aminobutanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307137
PubChem CID
Molecular Formula
C4H9NO2 Molecular Weight
103.121 g/mol
Synonyms/Alias
[4-aminobutyric acid; 4-Aminobutanoic acid; gamma-aminobutyric acid; GABA; 56-12-2; Piperidic acid; Piperidinic acid; Aminalon; Gaballon; Gammalon; Gammalone; Gammasol; Mielogen; Mielomade; Gamarex; G...
InChI Key
BTCSSZJGUNDROE-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
IUPAC Name
4-aminobutanoic acid
CAS Number
56-12-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
16 15 0 0 0 0 0 0 0 0999 V2000
-0.2970 0.0608 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8407 -0.4929 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1147 -0.541...
Experimental Data
Activity Data
Target Ion Channel
SUR1/KIR6.2 (inwardly rectifying calcium-dependent potassium channels)
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 1680 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
−80 to 60 mV mV
Temperature
18 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
binding to the extracellular M1–M2 linker of the channel.
Disease Information
Related Disease
Not specified
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
Computed Properties
Heavy Atom Count
7
Rotatable Bonds
3
logP
-0.1901
Complexity
25.9242
TPSA (Ų)
63.32
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
0